SCHEMBL841840

SCHEMBL841840

COc1cc(OC)c(-c2cc(CN3CCN(Cc4cc(-c5c(OC)cc(OC)cc5OC)cc(C(=O)O)n4)CCN(Cc4cc(-c5c(OC)cc(OC)cc5OC)cc(C(=O)NCCN)n4)CC3)nc(C(=O)O)c2)c(OC)c1.[Dy]

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BCHE P06276 2/20 0.38
ACHE P22303 2/20 0.38
MAPT P10636 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
DRD3 P35462 2/20 0.35
DRD2 P14416 1/20 0.35
KMT2A Q03164 5/20 0.35
MEN1 O00255 4/20 0.35
DRD4 P21917 1/20 0.35
LMNA P02545 1/20 0.34
MCHR1 Q99705 1/20 0.34
HTR1A P08908 1/20 0.34
HTR2A P28223 1/20 0.34
ALDH1A1 P00352 2/20 0.33
TP53 P04637 2/20 0.33
KDM4E B2RXH2 1/20 0.33
POLB P06746 1/20 0.33
ALOX15 P16050 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL862408 0.99 BCHE (0.38) BCHEACHEMAPTL3MBTL1DRD3
SCHEMBL841839 0.91 MAPT (0.36) BCHEACHEMAPTL3MBTL1DRD3
SCHEMBL840378 0.87 KMT2A (0.42) KMT2AMEN1LMNAALDH1A1KDM4E
SCHEMBL862402 0.82 MEN1 (0.41) MAPTL3MBTL1KMT2AMEN1LMNA
SCHEMBL14338918 0.81 KMT2A (0.34) BCHEACHEDRD2KMT2AMEN1
SCHEMBL862167 0.78 KDM4E (0.38) BCHEACHEDRD3DRD2LMNA
SCHEMBL841572 0.77 GSK3B (0.37) BCHEACHEMAPTDRD3HTR1A
SCHEMBL842226 0.77 CHRM3 (0.36) BCHEACHEMCHR1ALDH1A1
SCHEMBL841452 0.76 ACKR3 (0.40) MAPTLMNAALDH1A1
SCHEMBL14338919 0.76 KMT2A (0.33) BCHEACHEMAPTKMT2AMEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1694672-B1 NOVEL CHELATING AGENTS AND HIGHLY LUMINESCENT AND STABLE CHELATES AND THEIR USE WALLAC OY (FI) 2012-06-20 EP disclosed
US-8143057-B2 Chelating agents and highly luminescent and stable chelates and their use WALLAC OY (FI) 2012-03-27 US disclosed
US-8071626-B2 Chromophoric moiety comprises trialkoxyphenylpyridyl groups; biochemical conjugation; for solid phase synthesis of oligonucleotides and oligopeptides; magnetic resonance imaging; positron emission tomography WALLAC OY (FI) 2011-12-06 US disclosed
US-20100036102-A1 NOVEL CHELATING AGENTS AND HIGHLY LUMINESCENT AND STABLE CHELATES AND THEIR USE WALLAC OY (FI) 2010-02-11 US disclosed
US-7625930-B2 Chelating agents and highly luminescent and stable chelates and their use WALLOC OY (FI) 2009-12-01 US disclosed
US-20080167443-A1 Novel chelating agents and highly luminescent and stable chelates and their use WALLAC OY (FI) 2008-07-10 US disclosed
US-20050181393-A1 Novel chelating agents and highly luminescent and stable chelates and their use WALLAC OY (FI) 2005-08-18 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100036102-A1 NOVEL CHELATING AGENTS AND HIGHLY LUMINESCENT AND STABLE CHELATES AND THEIR USE CLTA, CLTC, FOLH1 BCHE 2054/4885ACHE 2228/4885MAPT 2705/4885
US-20080167443-A1 Novel chelating agents and highly luminescent and stable chelates and their use CLTA, CLTC, FOLH1 BCHE 2054/4885ACHE 2228/4885MAPT 2705/4885
US-20050181393-A1 Novel chelating agents and highly luminescent and stable chelates and their use CLTA, CLTC, FOLH1 BCHE 2054/4885ACHE 2228/4885MAPT 2705/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.